SCHEMBL28936497

SCHEMBL28936497

COc1cc2c(cnn2C(=O)C(C)C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.39
AXL P30530 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
SHMT2 P34897 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
STING1 Q86WV6 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 4/20 0.35
TAAR1 Q96RJ0 2/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29919783 1.00 HSP90AB1 (0.39) HSP90AB1AXLNPC1GAASHMT2
SCHEMBL18578596 0.85 HSP90AB1 (0.41) HSP90AB1AXLNPC1GAASHMT2
SCHEMBL29919579 0.79 ELANE (0.41) HSP90AB1AXLNPC1GAASHMT2
SCHEMBL18555471 0.79 ELANE (0.41) HSP90AB1AXLNPC1GAASHMT2
SCHEMBL17868785 0.73 AXL (0.46) AXLMEN1KMT2AL3MBTL1HTR2A
SCHEMBL4787452 0.72 CHEK1 (0.54) HSP90AB1NPC1GAASHMT2CASP3
SCHEMBL26655011 0.71 AXL (0.42) AXLHTR2ATAAR1HTR2C
SCHEMBL26654784 0.71 IKBKB (0.39) AXLSTING1MEN1KMT2AL3MBTL1
SCHEMBL30659648 0.71 STING1 (0.36) AXLNPC1GAASHMT2CASP3
SCHEMBL26654852 0.69 AXL (0.39) AXLSTING1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020957-B Heterocyclic compounds as MNK inhibitors 南京天印健华医药科技有限公司(CN) 2023-01-13 CN disclosed
US-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NANJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-09-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NIM1K, MAP3K1, MAPKAPK2 HSP90AB1 1238/4885AXL 1440/4885NPC1 1025/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.